N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide

C20H22N4O — CID 41236053

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(2)18(16-9-5-3-6-10-16)14-22-20(25)19-13-21-15-24(19)17-11-7-4-8-12-17/h3-13,15,18H,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyRGELVVYLVGWAAW-GOSISDBHSA-N
MW334.42 g/mol
LogP2.90
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide (PubChem CID 41236053) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
PubChem CID41236053
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(2)18(16-9-5-3-6-10-16)14-22-20(25)19-13-21-15-24(19)17-11-7-4-8-12-17/h3-13,15,18H,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyRGELVVYLVGWAAW-GOSISDBHSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 18161807
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
CID 110301921
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide (CID 41236053) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide is CN(C)[C@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is RGELVVYLVGWAAW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)18(16-9-5-3-6-10-16)14-22-20(25)19-13-21-15-24(19)17-11-7-4-8-12-17/h3-13,15,18H,14H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 41236053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).